Supporting data for "d-StructMAn: containerized structural annotation on the scale from genetic variants to whole proteomes"

Structural annotation of genetic variants in the context of inter-molecular interactions and protein stability can shed light onto mechanisms of disease-related phenotypes. Three-dimensional structures of related proteins in complexes with other proteins, nucleic acids, or ligands enriches such functional interpretation, since inter-molecular interactions are well conserved in evolution. <br>We present d-StructMAn, a novel computational method that enables structural annotation of local genetic variants, such as single-nucleotide variants and in-frame indels, and implements it in a highly efficient and user-friendly tool provided as a Docker container. Using d-StructMAn, we annotated several very large sets of human genetic variants, including all variants from ClinVar and all amino acid positions in the human proteome. We were able to provide annotation for more than 46% of positions in the human proteome representing over 60% proteins. <br>d-StructMAn is the first of its kind and is a highly efficient tool for structural annotation of protein-coding genetic variation in the context of observed and potential inter-molecular interactions. d-StructMAn is readily applicable to proteome-scale datasets and can be instrumental building machine-learning tools for predicting genotype-to-phenotype relationships.